%chk=000271035.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271035

0 1
S 5.423970 0.735203 0.248322
O -3.347204 0.282420 2.130867
O 6.106045 1.834825 -0.410500
O 5.931547 0.224469 1.491182
N -4.556034 0.755674 0.158784
N -4.420000 1.619413 -0.927437
N -1.253696 1.505720 0.248594
N -0.317198 2.158084 0.740727
N 5.578854 -0.483989 -0.994679
N 4.123653 -1.958494 0.112797
C -2.606201 2.040354 0.529728
C -3.341867 2.356481 -0.781403
C -3.481422 0.889671 1.105966
C -5.648066 -0.186175 0.178378
C -2.871613 3.377745 -1.734058
C 3.748256 1.097527 0.360229
C 1.043855 1.713093 0.545624
C -5.767335 -1.071513 1.264247
C -6.584255 -0.206590 -0.872637
C 3.188959 2.052503 -0.499634
C 2.952148 0.455505 1.315666
C 1.834069 2.367923 -0.417518
C 1.590706 0.756099 1.413344
C -6.831827 -1.975133 1.288631
C -7.638831 -1.118664 -0.824835
C -7.768029 -2.003702 0.251112
C 5.002796 -1.758205 -0.926558
C 5.293723 -2.763481 -1.884871
C 4.665050 -3.996964 -1.749922
C 3.532054 -3.177242 0.212447
C 3.772388 -4.219203 -0.692292
H -2.646681 2.918174 1.229512
H -2.658832 4.336542 -1.236519
H -3.613112 3.576239 -2.528107
H -1.944797 3.050740 -2.236382
H -5.043345 -1.063088 2.083298
H -6.489934 0.479566 -1.715328
H 3.820449 2.563956 -1.237267
H 3.394429 -0.292510 1.989579
H 1.397048 3.111805 -1.080676
H 0.965972 0.253476 2.152048
H 6.234840 -0.316239 -1.769623
H -6.928282 -2.663302 2.128726
H -8.366973 -1.139062 -1.635669
H -8.593713 -2.711137 0.279457
H 5.990589 -2.576462 -2.694716
H 4.868084 -4.793497 -2.467618
H 2.842470 -3.299538 1.057111
H 3.278593 -5.178517 -0.574427


%chk=000271035-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271035

0 1
S 5.082737 -0.012971 1.351759
O -3.662373 1.616601 2.104185
O 5.949548 1.275592 1.842688
O 5.012241 -1.362472 2.242592
N -4.842585 0.856111 0.162211
N -4.629970 0.845207 -1.259637
N -1.459371 1.225660 -0.045320
N -0.523125 2.081092 0.242108
N 5.858121 -0.304681 -0.323585
N 4.467998 -2.131004 -0.851164
C -2.768732 1.895556 -0.237783
C -3.465445 1.412317 -1.502654
C -3.777922 1.452594 0.866135
C -6.056560 0.293817 0.669828
C -2.905403 1.535786 -2.883504
C 3.334359 0.578371 0.955105
C 0.770086 1.488563 0.480611
C -6.303857 0.252194 2.067634
C -7.012065 -0.223775 -0.243071
C 3.138924 1.966104 0.888002
C 2.314281 -0.379555 0.815776
C 1.825253 2.420848 0.647452
C 1.010135 0.088541 0.575652
C -7.510275 -0.310169 2.536191
C -8.210278 -0.781297 0.247072
C -8.469076 -0.829067 1.636728
C 5.664231 -1.496724 -1.034643
C 6.657363 -1.967991 -1.943088
C 6.372667 -3.120673 -2.698764
C 4.227796 -3.258514 -1.577254
C 5.136625 -3.788756 -2.518102
H -2.656586 2.999458 -0.206923
H -2.696846 2.592281 -3.136596
H -3.609396 1.123262 -3.623380
H -1.945814 0.990078 -2.957930
H -5.566848 0.652909 2.766426
H -6.803786 -0.185018 -1.314274
H 3.975797 2.654193 1.040797
H 2.552748 -1.444347 0.879842
H 1.595360 3.488978 0.589242
H 0.171620 -0.604349 0.462855
H 6.783086 0.146332 -0.326400
H -7.697023 -0.340570 3.615293
H -8.943881 -1.180004 -0.462356
H -9.401977 -1.263381 2.011532
H 7.612260 -1.443369 -2.050331
H 7.113337 -3.501764 -3.409630
H 3.265102 -3.747146 -1.389437
H 4.888816 -4.694350 -3.078186


